SCHEMBL8621573

SCHEMBL8621573

CCC/C=C/c1ccc(C#Cc2ccc(F)c(F)c2)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 2/20 0.39
GRM5 P41594 3/20 0.34
PABPC1 P11940 1/20 0.32
RAB9A P51151 1/20 0.32
EIF4H Q15056 1/20 0.32
TRPA1 O75762 1/20 0.32
FFAR1 O14842 3/20 0.31
FFAR4 Q5NUL3 3/20 0.31
TSPO P30536 1/20 0.31
DRD3 P35462 1/20 0.31
TUBB1 Q9H4B7 2/20 0.30
PTGS2 P35354 1/20 0.30
ACACB O00763 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8621577 1.00 NFE2L2 (0.39) NFE2L2GRM5PABPC1RAB9AEIF4H
SCHEMBL8620757 0.90 TRPV4 (0.35) GRM5FFAR1FFAR4TSPODRD3
SCHEMBL8620753 0.90 TRPV4 (0.35) GRM5FFAR1FFAR4TSPODRD3
SCHEMBL8618584 0.88 GRM5 (0.35) NFE2L2GRM5TRPA1FFAR1FFAR4
SCHEMBL8618581 0.88 GRM5 (0.35) NFE2L2GRM5TRPA1FFAR1FFAR4
SCHEMBL8617838 0.88 NFE2L2 (0.40) NFE2L2GRM5PABPC1RAB9AEIF4H
SCHEMBL8617834 0.88 NFE2L2 (0.40) NFE2L2GRM5PABPC1RAB9AEIF4H
SCHEMBL8618031 0.86 HAO1 (0.38) GRM5FFAR1FFAR4ACACB
SCHEMBL8618028 0.86 HAO1 (0.38) GRM5FFAR1FFAR4ACACB
SCHEMBL8619124 0.85 FFAR1 (0.39) FFAR1FFAR4ACACB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0648723-B1 Diphenylacetylene compound, process for preparing the same and liquid crystal composition and element comprising the same SUMITOMO CHEMICAL CO (JP) 1998-05-20 EP disclosed
US-5658489-A EXCELLENT ANISOTROPY OF REFRACTIVE INDEX; LOW VISCOSITY SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-08-19 US disclosed
EP-0648723-A1 Diphenylacetylene compound, process for preparing the same and liquid crystal composition and element comprising the same SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1995-04-19 EP disclosed